5-bromanyl-2-[2-(3-nitrophenoxy)ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(3-nitrophenoxy)ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid Formula: C15H11BrN2O6 MolecularWeight: 395.16164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrN2O6/c16-9-4-5-13(12(6-9)15(20)21)17-14(19)8-24-11-3-1-2-10(7-11)18(22)23/h1-7H,8H2,(H,17,19)(H,20,21)